| [6253ed] | 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| [61c364] | 18 | ### 6. (un)select atom by order
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| 19 |
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| 20 | AT_SETUP([Selection - atom with specific order])
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| 21 | AT_KEYWORDS([selection order atom select-atom-by-order])
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| 22 | # go through all possible orders (0-7) and removed
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| 23 | i=1
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| 24 | while test $i -le 8; do
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| 25 | let id=$i-1
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| 26 | file=id${id}_missing.xyz
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| 27 | # normal
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| 28 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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| 29 | AT_CHECK([chmod u+w $file], 0)
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| 30 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} -r], [], [ignore], [ignore])
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| 31 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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| 32 | ((i+=1))
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| 33 | done
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| 34 | # go through all possible orders (0-7) and removed
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| 35 | i=1
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| 36 | while test $i -le 8; do
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| 37 | let id=8-$i
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| 38 | file=id${id}_missing.xyz
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| 39 | # normal
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| 40 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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| 41 | AT_CHECK([chmod u+w $file], 0)
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| 42 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} -r], [], [ignore], [ignore])
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| 43 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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| 44 | ((i+=1))
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| 45 | done
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| 46 | AT_CLEANUP
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| 47 |
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| 48 |
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| 49 | AT_SETUP([Selection - atom with specific order with Undo])
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| 50 | AT_KEYWORDS([selection order atom select-atom-by-order undo])
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| 51 | # go through all possible ids (0-7) and removed
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| 52 | i=1
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| 53 | while test $i -le 8; do
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| 54 | let id=$i-1
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| 55 | file=id${id}_missing.xyz
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| 56 | # undo
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| 57 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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| 58 | AT_CHECK([chmod u+w $file], 0)
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| 59 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} --undo -r], [], [ignore], [ignore])
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| 60 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz])
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| 61 | ((i+=1))
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| 62 | done
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| 63 | # go reverse through all possible ids (0-7) and removed
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| 64 | i=1
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| 65 | while test $i -le 8; do
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| 66 | let id=8-$i
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| 67 | file=id${id}_missing.xyz
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| 68 | # undo
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| 69 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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| 70 | AT_CHECK([chmod u+w $file], 0)
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| 71 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} --undo -r], [], [ignore], [ignore])
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| 72 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz])
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| 73 | ((i+=1))
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| 74 | done
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| 75 | AT_CLEANUP
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| 76 |
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| 77 |
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| 78 | AT_SETUP([Selection - atom with specific order with Redo])
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| 79 | AT_KEYWORDS([selection order atom select-atom-by-order redo])
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| 80 | # go through all possible ids (0-7) and removed
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| 81 | i=1
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| 82 | while test $i -le 8; do
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| 83 | let id=$i-1
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| 84 | file=id${id}_missing.xyz
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| 85 | # redo
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| 86 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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| 87 | AT_CHECK([chmod u+w $file], 0)
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| 88 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} --undo --redo -r], [], [ignore], [ignore])
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| 89 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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| 90 | ((i+=1))
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| 91 | done
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| 92 | # go reverse through all possible ids (0-7) and removed
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| 93 | i=1
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| 94 | while test $i -le 8; do
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| 95 | let id=8-$i
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| 96 | file=id${id}_missing.xyz
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| 97 | # redo
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| 98 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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| 99 | AT_CHECK([chmod u+w $file], 0)
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| 100 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} --undo --redo -r], [], [ignore], [ignore])
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| 101 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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| 102 | ((i+=1))
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| 103 | done
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| 104 | AT_CLEANUP
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